SCHEMBL631398

SCHEMBL631398

C=CCOc1ccc(C[C@H](N)C(=O)NC2CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
MAPT P10636 2/20 0.62
RAB9A P51151 2/20 0.62
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX2 P34913 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8268326 0.86 NPC1 (0.62) NPC1MAPTRAB9ATDP1EPHX2
SCHEMBL10287712 0.84 NPC1 (0.58) NPC1MAPTRAB9ATDP1EPHX2
SCHEMBL631183 0.80 MAPT (0.46) MAPTEPHX2LMNAALDH1A1TSHR
SCHEMBL15674131 0.79 ATM (0.42) NPC1MAPTRAB9AATMALDH1A1
SCHEMBL15674134 0.79 ATM (0.42) NPC1MAPTRAB9AATMALDH1A1
SCHEMBL2985314 0.78 RAB9A (0.57) NPC1MAPTRAB9ATDP1ALDH1A1
SCHEMBL6164081 0.78 TDP1 (0.64) NPC1RAB9ATDP1EPHX2ALDH1A1
SCHEMBL353959 0.78 TDP1 (0.64) NPC1RAB9ATDP1EPHX2ALDH1A1
Hydrochloric Acid SCHEMBL7759004 0.76 TDP1 (0.62) NPC1RAB9ATDP1EPHX2ALDH1A1
SCHEMBL8195266 0.76 CA12 (0.46) NPC1MAPTRAB9AATMALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US claimed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US disclosed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 NPC1 1264/4885MAPT 192/4885RAB9A 1603/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.